5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

C17H11ClN4O2 — CID 666253

IUPAC5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H11ClN4O2/c1-10-14(15(21-23-10)11-6-2-3-7-12(11)18)17-20-16(22-24-17)13-8-4-5-9-19-13/h2-9H,1H3
InChIKeyDSJDKIRHHOJWEZ-UHFFFAOYSA-N
MW338.75 g/mol
LogP4.42
Rot. Bonds3

About 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole

5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 666253) has the molecular formula C17H11ClN4O2 and a molecular weight of 338.75 g/mol. Its IUPAC name is 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID666253
Molecular FormulaC17H11ClN4O2
Molecular Weight338.75 g/mol
Exact Mass338.06
IUPAC Name5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccn2)no1
InChIInChI=1S/C17H11ClN4O2/c1-10-14(15(21-23-10)11-6-2-3-7-12(11)18)17-20-16(22-24-17)13-8-4-5-9-19-13/h2-9H,1H3
InChIKeyDSJDKIRHHOJWEZ-UHFFFAOYSA-N
XLogP4.42
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

N-(5-chloropyridin-2-yl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1363764
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-4-isoxazolecarboxamide
CID 741178
3-(2-chlorophenyl)-5-methyl-N-(4-methylpyridin-2-yl)-1,2-oxazole-4-carboxamide
CID 798822
Cambridge id 6131393
CID 702091
3-(2-chlorophenyl)-5-methyl-N-(2-pyridinylmethyl)-4-isoxazolecarboxamide
CID 749183
5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 878335
3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-YL 4-pyrimidin-2-ylpiperazinyl ketone
CID 1094870
3-(2-chlorophenyl)-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 1259131
3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-isoxazolecarboxamide
CID 2236064
(3-(2-chlorophenyl)-5-methylisoxazol-4-yl)(2-((pyridin-3-ylmethyl)thio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 3242813
3-(2-chlorophenyl)-5-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 5308737
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]({[(1E)-1-(pyridin-4-yl)ethylidene]amino}oxy)methanone
CID 5446268

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 666253) is 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccn2)no1.
What is the InChIKey of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is DSJDKIRHHOJWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2/c1-10-14(15(21-23-10)11-6-2-3-7-12(11)18)17-20-16(22-24-17)13-8-4-5-9-19-13/h2-9H,1H3.
What are the key properties of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 338.75 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 666253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).